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Table 5 Local relevance conservation for c1c([N +]([O−]) = O)ccc(Br)c1

From: Transformer-CNN: Swiss knife for QSAR modeling and interpretation

LayerRelevance, R (L + 1)Relevance, R (L)Delta, R (L + 1)-R (L)Bias, Delta / R (L + 1) *100%
Result0.98119
HighWay Output0.981190.93000.05125.21
HighWay Input0.93000.72270.207322.3
DeMaxPool0.72270.7371 − 0.0144 − 1.98
Conv10.00900.0117 − 0.00271 − 30.1
Conv20.16270.16270a0
Conv3− 0.0443 − 0.044300
Conv40.01910.019100
Conv5− 0.0984 − 0.098400
Conv6− 0.0136 − 0.013600
Conv70.08060.080600
Conv80.09570.095700
Conv90.15280.152800
Conv100.08450.084500
Conv150.10380.103800
Conv200.18510.185100
Total0.981190.73980.241424.6
  1. aAll 0 values were all less than 10− 5